SCHEMBL1028818

SCHEMBL1028818

COC(=O)c1cccc(Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
PYGL P06737 1/20 0.53
AKR1C4 P17516 3/20 0.51
AKR1C3 P42330 3/20 0.51
AKR1C2 P52895 3/20 0.51
AKR1C1 Q04828 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.48
FFAR1 O14842 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1026951 0.86 TDP1 (0.50) KDM4EPYGLAKR1C4AKR1C3AKR1C2
SCHEMBL27834942 0.85 POLB (0.50) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6567226 0.85 KDM4E (0.62) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL21612801 0.84 MAPT (0.58) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2724028 0.83 TDP1 (0.62) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL3889423 0.83 MEN1 (0.55) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1353346 0.83 VCAM1 (0.57) AKR1C4AKR1C3AKR1C2AKR1C1HPGD
SCHEMBL1026867 0.81 TDP1 (0.55) KDM4EPYGLAKR1C4AKR1C3AKR1C2
SCHEMBL10784720 0.81 TDP1 (0.70) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1075103 0.81 MEN1 (0.51) KDM4EAKR1C4AKR1C3AKR1C2AKR1C1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R KDM4E 3760/4885PYGL 1226/4885AKR1C4 289/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.